2-(4-Fluorophenyl)-2-phenylacetonitrile
Basic information
- CAS
719-82-4- Standard SMILES
N#CC(c1ccccc1)c1ccc(F)cc1- InChIKey
LRNPWSOSXVCRKG-UHFFFAOYSA-N- Molecular formula
- C14H10FN
- Average molar mass
- 211.23 g/mol
- Monoisotopic mass
- 211.07972749
Names & identifiers
- Preferred name
- 2-(4-Fluorophenyl)-2-phenylacetonitrile
- IUPAC
- 2-(4-fluorophenyl)-2-phenylacetonitrile
- English name
- 2-(4-fluorophenyl)-2-phenyl-acetonitrile
- Molecular formula
- C14H10FN
- Molecular weight
- 211.23
Names & synonyms
719-82-42-(4-fluorophenyl)-2-phenylacetonitrile2-(4-Fluorophenyl)-2-phenyl acetonitrile2-(4-fluorophenyl)-2-phenyl-acetonitrile(4-fluorophenyl)(phenyl)acetonitrileNSC23818MFCD00019794SCHEMBL5052368DTXSID90282010LRNPWSOSXVCRKG-UHFFFAOYSA-NAR3584NSC-23818
Show more names
Benzeneacetonitrile, 4-fluoro-α-phenyl-
AKOS025404263CS-0200007
Database identifiers
- CAS
719-82-4- PubChem CID
- 229820
- DTXSID
DTXSID90282010- Nikkaji
- J3.113.668G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Melting point
- 39 · 39-41 °C
- Boiling point
- 192 °C · 192 °C(Press: 25 Torr)
- Density
- 1.149 · 1.149±0.06 g/cm3(Predicted)
Chemistry & industry
Applications
Uses2-(4-Fluorophenyl)-2-phenylacetonitrile is used as a reagent in the synthesis of unsymmetric triarylacetonitriles via palladium-catalyzed sequential arylations from chloroacetonitrile and further conversion to tri- and tetraarylmethanes.
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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